咖啡因苯甲酸盐

pro_cas
5743-17-9
pro_cdbregno
CCD00610291
pro_formula
C8 H10 N4 O2 . C7 H6 O2
pro_molWeight
316.315

basic_info

Product_Name: 咖啡因苯甲酸盐
CAS: 5743-17-9
中文同义词: 咖啡因苯甲酸盐
EnglishSynonyms: CAFFEINE BENZOATE
pro_mdlNumber: MFCD07783181
pro_acceptors: 6
pro_donors: 0
pro_smile: Cn1cnc2c1c(=O)n(c(=O)n2C)C.c1ccc(cc1)C(=O)O
InChi: InChI=1S/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)
InChiKey: InChIKey=VXXKVQICUHMECR-UHFFFAOYSA-N

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